Geometry & MOs

Info

ID:	123512
PubChem CID:	50852053
Reduced:	ClOSN3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	329.020804
ΔH_f, kcal/mol:	3.99
Dipole, Da:	1.9
IP(EA), eV:	-8.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,5-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

C1CN(CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations